ErMg(ZrRh2)2
Alexandria ALEXAlex-ID: agm004808317 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
Er5ZrRh6 MgZrRh2 ZrRh
2022-07-18 02:49:28.528192
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004808317).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm004808317
data_agm004808317
_cell_length_a 4.63472
_cell_length_b 4.63472
_cell_length_c 8.07042
_cell_angle_alpha 73.31306
_cell_angle_beta 73.31306
_cell_angle_gamma 60.00000
_cell_volume 141.63958
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Er1 Er 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
Zr1 Zr 0.75534 0.75534 0.73397 1.00000
Zr2 Zr 0.24466 0.24466 0.26603 1.00000
Rh1 Rh 0.37599 0.37599 0.87202 1.00000
Rh2 Rh 0.87554 0.87554 0.37339 1.00000
Rh3 Rh 0.12446 0.12446 0.62661 1.00000
Rh4 Rh 0.62401 0.62401 0.12798 1.00000
获取直接链接